diethyl 1,3-dimethyl-2-(2-phenylphenyl)cyclopentane-1,3-dicarboxylate

C25H30O4 — CID 58112707

IUPACdiethyl 1,3-dimethyl-2-(2-phenylphenyl)cyclopentane-1,3-dicarboxylate
SMILESCCOC(=O)C1(C)CCC(C)(C(=O)OCC)C1c1ccccc1-c1ccccc1
InChIInChI=1S/C25H30O4/c1-5-28-22(26)24(3)16-17-25(4,23(27)29-6-2)21(24)20-15-11-10-14-19(20)18-12-8-7-9-13-18/h7-15,21H,5-6,16-17H2,1-4H3
InChIKeyOSVRWOLNXWRXGT-UHFFFAOYSA-N
MW394.51 g/mol
LogP5.37
Rot. Bonds6

About diethyl 1,3-dimethyl-2-(2-phenylphenyl)cyclopentane-1,3-dicarboxylate

diethyl 1,3-dimethyl-2-(2-phenylphenyl)cyclopentane-1,3-dicarboxylate (PubChem CID 58112707) has the molecular formula C25H30O4 and a molecular weight of 394.51 g/mol. Its IUPAC name is diethyl 1,3-dimethyl-2-(2-phenylphenyl)cyclopentane-1,3-dicarboxylate.

Molecular Properties

Compound Namediethyl 1,3-dimethyl-2-(2-phenylphenyl)cyclopentane-1,3-dicarboxylate
PubChem CID58112707
Molecular FormulaC25H30O4
Molecular Weight394.51 g/mol
Exact Mass394.21
IUPAC Namediethyl 1,3-dimethyl-2-(2-phenylphenyl)cyclopentane-1,3-dicarboxylate
SMILESCCOC(=O)C1(C)CCC(C)(C(=O)OCC)C1c1ccccc1-c1ccccc1
InChIInChI=1S/C25H30O4/c1-5-28-22(26)24(3)16-17-25(4,23(27)29-6-2)21(24)20-15-11-10-14-19(20)18-12-8-7-9-13-18/h7-15,21H,5-6,16-17H2,1-4H3
InChIKeyOSVRWOLNXWRXGT-UHFFFAOYSA-N
XLogP5.37
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.51
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 143831911
ethyl (2R)-2-chloro-2-(2-phenylphenyl)acetate
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CID 155818776
ethyl 1-benzylcyclopropane-1-carboxylate
CID 12619318
ethyl (2R,3R)-3-fluoro-4-oxo-2-(4-phenylphenyl)-2H-chromene-3-carboxylate
CID 25213191
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CID 19738108
ethyl (2R,6R)-3-azatetracyclo[5.4.0.02,4.03,6]undeca-1(11),7,9-triene-4-carboxylate
CID 89007816
diethyl (2R)-2-(1,3-dioxoisoindol-2-yl)cyclopropane-1,1-dicarboxylate
CID 169410251
ethyl 1-amino-2-phenylcyclobutane-1-carboxylate
CID 135039689
ethyl 15-(2,2,2-trifluoroacetyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate
CID 15530344
diethyl 9-phenyl-5,7,8,9-tetrahydrobenzo[7]annulene-6,6-dicarboxylate
CID 54763664
diethyl 5,6-bis(hydroxymethyl)-4,7-diphenyl-1,3-dihydroindene-2,2-dicarboxylate
CID 59398687

Frequently Asked Questions

What is the IUPAC name of diethyl 1,3-dimethyl-2-(2-phenylphenyl)cyclopentane-1,3-dicarboxylate?
The IUPAC name of diethyl 1,3-dimethyl-2-(2-phenylphenyl)cyclopentane-1,3-dicarboxylate (CID 58112707) is diethyl 1,3-dimethyl-2-(2-phenylphenyl)cyclopentane-1,3-dicarboxylate.
What is the SMILES notation for diethyl 1,3-dimethyl-2-(2-phenylphenyl)cyclopentane-1,3-dicarboxylate?
The canonical SMILES for diethyl 1,3-dimethyl-2-(2-phenylphenyl)cyclopentane-1,3-dicarboxylate is CCOC(=O)C1(C)CCC(C)(C(=O)OCC)C1c1ccccc1-c1ccccc1.
What is the InChIKey of diethyl 1,3-dimethyl-2-(2-phenylphenyl)cyclopentane-1,3-dicarboxylate?
The InChIKey is OSVRWOLNXWRXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30O4/c1-5-28-22(26)24(3)16-17-25(4,23(27)29-6-2)21(24)20-15-11-10-14-19(20)18-12-8-7-9-13-18/h7-15,21H,5-6,16-17H2,1-4H3.
What are the key properties of diethyl 1,3-dimethyl-2-(2-phenylphenyl)cyclopentane-1,3-dicarboxylate?
diethyl 1,3-dimethyl-2-(2-phenylphenyl)cyclopentane-1,3-dicarboxylate has a molecular weight of 394.51 g/mol, XLogP of 5.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 1,3-dimethyl-2-(2-phenylphenyl)cyclopentane-1,3-dicarboxylate is sourced from PubChem (CID 58112707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).